Cas no 3612-20-2 (1-Benzyl-4-piperidone)
1-Benzyl-4-piperidone Chemical and Physical Properties
Names and Identifiers
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- 1-Benzylpiperidin-4-one
- NSC 77933
- 1-BENZYL-4-PIPERIDINONE FOR SYNTHESIS
- [(4-Oxopiperidin-1-yl)methyl]benzene, 1-Benzyl-4-oxopiperidine
- N- benzylpiperidineketone
- 4-Piperidone, 1-benzyl-
- 1-Benzyl-4-piperidone
- N-Benzyl-4-piperidone
- 1-Benzyl-4-Pipridine
- 1-Benzylpiperidone
- 1-Phenylmethyl-piperidin-4-one
- Benzyl piperidone
- BENZYL-4-PIPERIDONE
- BENZYLPIPERIDONE-4
- N-Benzyl-4-piperidon
- N-Benzylpiperidinone
- N-BENZYLPIPERIDONE
- 1-(Phenylmethyl)-4-piperidinone
- 4-Piperidinone, 1-(phenylmethyl)-
- 1-Benzyl-4-oxopiperidine
- 1-benzyl-piperidin-4-one
- 1-Benzyl-4-piperidinone
- N-Benzylpiperidin-4-one
- N-Benzyl-4-piperidinone
- 4-N-Benzylpiperidone
- MLS002694053
- SJZKULRDWHPHGG-UHFFFAOYSA-N
- 399249PH5B
- N-Benzyl-4-piperidine
- NSC77933
- EIN
- 1-Benzyl-4-Piperidone,98%
- CS-W007822
- n-benzyl4-piperidone
- DB-363310
- 1-Benzyl4-piperidone
- 1-benzyl-4 -piperidone
- 1-benzylpiperid4-one
- SY001468
- B1027
- 1-Benzyl-4-piperidone, technical, >=98.0% (GC)
- 1 -Benzyl-4-piperidone
- 1-(phenyl-methyl)-4-piperidinone
- 1-benzyl-4-oxo-piperidine
- 1-benzyl piperidin-4-one
- SCHEMBL4726
- AKOS000119701
- 1-phenylmethyl-4-piperidinone
- MFCD00006192
- FS-1714
- N-benzyl-4-oxopiperidine
- 1-Benzyl-4-piperidone, 99%
- NCGC00246875-01
- SB42971
- NCIOpen2_000865
- InChI=1/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H
- 1-benzyl-piperid-4-one
- 1-benzylpiperid-4-one
- Q27256879
- 4-PIPERIDONE,1-BENZYL
- Q-200108
- 1-benzylpiperidine-4-one
- CHEMBL491630
- 3612-20-2
- 1-Benzyi-4-piperidone
- DTXSID30189695
- BCP22272
- NS00029979
- N-benzylpiperdine-4-one
- 1-(phenylmethyl)-4-piperidone
- BP-10640
- EN300-16225
- HMS1648P07
- N-benzylpiperidine-4-one
- N-benzyl 4-piperidone
- EINECS 222-782-4
- Z54749061
- HY-W007822
- F0850-6847
- UNII-399249PH5B
- STL141066
- 1-benzyl -4-piperidone
- 4-oxo-1-benzylpiperidine
- 1-benzyl-4-piperdinone
- SMR001559985
- EU-0099975
- 1-phenylmethyl-4-piperidone
- DB-013199
- SR-01000597226-1
- SR-01000597226
- NSC-77933
- AC-6376
- Benzyl-piperidin-4-one
-
- MDL: MFCD00006192
- Inchi: 1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
- InChI Key: SJZKULRDWHPHGG-UHFFFAOYSA-N
- SMILES: O=C1C([H])([H])C([H])([H])N(C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])C([H])([H])C1([H])[H]
- BRN: 128556
Computed Properties
- Exact Mass: 189.11500
- Monoisotopic Mass: 189.115364
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1.2
- Topological Polar Surface Area: 20.3
Experimental Properties
- Color/Form: Uncertain
- Density: 1.021?g/mL?at 25?°C(lit.)
- Boiling Point: 158°C/11mmHg(lit.)
- Flash Point: Fahrenheit: 159.8 ° f < br / > Celsius: 71 ° C < br / >
- Refractive Index: n20/D 1.541(lit.)
- Solubility: 12g/l
- Water Partition Coefficient: 12 g/L (20 oC)
- PSA: 20.31000
- LogP: 1.78940
- Sensitiveness: Sensitive to heat and air
- Solubility: Uncertain
1-Benzyl-4-piperidone Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36-S37/39
-
Hazardous Material Identification:
- Storage Condition:0-10°C
- Packing Group:II
- Risk Phrases:R22; R43
- Safety Term:S26;S37/39
- Packing Group:II
1-Benzyl-4-piperidone Customs Data
- HS CODE:29333999
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-Benzyl-4-piperidone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B1027-500ml |
1-Benzyl-4-piperidone |
3612-20-2 | 98.0%(GC&T) | 500ml |
¥2250.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B1027-25ml |
1-Benzyl-4-piperidone |
3612-20-2 | 98.0%(GC&T) | 25ml |
¥230.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B046R-25g |
1-Benzyl-4-piperidone |
3612-20-2 | 98% | 25g |
¥134.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B046R-100g |
1-Benzyl-4-piperidone |
3612-20-2 | 98% | 100g |
¥397.0 | 2022-05-30 | |
| Fluorochem | 023286-25g |
1-Benzyl-4-piperidone |
3612-20-2 | 99% | 25g |
£16.00 | 2022-03-01 | |
| Fluorochem | 023286-100g |
1-Benzyl-4-piperidone |
3612-20-2 | 99% | 100g |
£27.00 | 2022-03-01 | |
| Fluorochem | 023286-500g |
1-Benzyl-4-piperidone |
3612-20-2 | 99% | 500g |
£95.00 | 2022-03-01 | |
| YAN FENG KE JI ( BEI JING ) Co., Ltd. | H69782-25g |
1-Benzyl-4-piperidone |
3612-20-2 | 99% | 25g |
¥48 | 2023-09-19 | |
| YAN FENG KE JI ( BEI JING ) Co., Ltd. | H69782-100g |
1-Benzyl-4-piperidone |
3612-20-2 | 99% | 100g |
¥60 | 2023-09-19 | |
| YAN FENG KE JI ( BEI JING ) Co., Ltd. | H69782-500g |
1-Benzyl-4-piperidone |
3612-20-2 | 99% | 500g |
¥278 | 2023-09-19 |
1-Benzyl-4-piperidone Suppliers
1-Benzyl-4-piperidone Related Literature
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You-Ri Kim,Dennis G. Hall Org. Biomol. Chem. 2016 14 4739
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2. Recent developments in the chemistry of bicyclic 6-6 systems: chemistry of pyrido[4,3-d]pyrimidinesKhaled M. Elattar,Ba?ak Do?ru Mert RSC Adv. 2016 6 71827
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3. Conformational study of bridgehead lactams. Preparation and X-ray structural analysis of 1-azabicyclo[3.3.1]nonane-2,6-dionePeter H. McCabe,Neal J. Milne,George A. Sim J. Chem. Soc. Perkin Trans. 2 1989 1459
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Martin G. Banwell,Mark J. Coster,Natasha L. Hungerford,Mary J. Garson,Stephen Su,Andrew C. Kotze,Murray H. G. Munro Org. Biomol. Chem. 2012 10 154
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Christina Meyer,Benedikt Neue,Dirk Schepmann,Shuichi Yanagisawa,Junichiro Yamaguchi,Ernst-Ulrich Würthwein,Kenichiro Itami,Bernhard Wünsch Org. Biomol. Chem. 2011 9 8016
Additional information on 1-Benzyl-4-piperidone
Professional Introduction to 1-Benzyl-4-piperidone (CAS No. 3612-20-2)
1-Benzyl-4-piperidone (CAS No. 3612-20-2) is a significant compound in the field of pharmaceutical chemistry, exhibiting a unique structural framework that has garnered considerable attention for its potential applications in drug discovery and medicinal chemistry. This heterocyclic compound, characterized by a benzyl group attached to a piperidone core, serves as a versatile intermediate in the synthesis of various pharmacologically active molecules.
The molecular structure of 1-Benzyl-4-piperidone consists of a six-membered lactam ring fused with a benzyl substituent, which contributes to its reactivity and functionality. This structural motif has been extensively studied for its role in modulating biological pathways, particularly in the development of novel therapeutic agents targeting neurological and inflammatory disorders. The presence of the piperidone moiety enhances the compound's solubility and bioavailability, making it an attractive candidate for further pharmacological exploration.
In recent years, 1-Benzyl-4-piperidone has been explored as a key intermediate in the synthesis of small-molecule inhibitors. These inhibitors have shown promise in preclinical studies for their ability to interact with specific enzyme targets involved in disease mechanisms. For instance, research has indicated that derivatives of this compound exhibit inhibitory activity against certain kinases and proteases, which are critical players in cancer progression and inflammation. The benzyl group provides a handle for further functionalization, allowing chemists to tailor the compound's properties for specific therapeutic applications.
The synthesis of 1-Benzyl-4-piperidone typically involves multi-step organic reactions, including condensation and cyclization processes. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that the final product meets the stringent requirements for pharmaceutical use. Recent advancements in catalytic systems have enabled more efficient and sustainable routes to this compound, aligning with global efforts to minimize environmental impact in chemical manufacturing.
One of the most compelling aspects of 1-Benzyl-4-piperidone is its role in the development of novel drug candidates. Researchers have leveraged its structural flexibility to create libraries of derivatives with diverse biological activities. These derivatives are being screened in high-throughput assays to identify compounds with potent effects on target diseases. The piperidone core, in particular, has been recognized for its ability to penetrate the blood-brain barrier, making it a valuable scaffold for central nervous system (CNS) drug discovery.
The pharmacological profile of 1-Benzyl-4-piperidone continues to be refined through computational modeling and experimental validation. Molecular docking studies have provided insights into how this compound interacts with biological targets at the atomic level, guiding the design of next-generation analogs with improved efficacy and reduced side effects. These studies underscore the importance of interdisciplinary approaches in modern drug development, combining expertise from chemistry, biology, and computational science.
In conclusion, 1-Benzyl-4-piperidone (CAS No. 3612-20-2) represents a promising compound in pharmaceutical research due to its unique structural features and potential therapeutic applications. Its role as an intermediate in synthesizing bioactive molecules has opened new avenues for drug discovery, particularly in addressing complex diseases such as cancer and neurodegenerative disorders. As research progresses, further exploration of this compound's derivatives is expected to yield innovative treatments that meet unmet medical needs.
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